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virtual-human-chc
/

MolE

graph-neural-networks

machine-learning

graph-isomorphism-network

molecular-biology

computational-biology

antimicrobial-discovery

high-throughput-screening

virtual-drug-screening

virtual-human-chc

Model card Files Files and versions

MolE / input

7.46 kB

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91cdfa5 verified 27 days ago

examples_molecules.tsv

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maier_screening_results.tsv.gz

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xet

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